Advances in Time-Dependent Methods for Nuclear Structure and Dynamics PDF Download
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Author: Paul Denis Stevenson
Publisher: Frontiers Media SA
ISBN: 2889665674
Category : Science
Languages : en
Pages : 171
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Book Description
Author: Paul Denis Stevenson
Publisher: Frontiers Media SA
ISBN: 2889665674
Category : Science
Languages : en
Pages : 171
Get Book Here
Book Description
Author: Leticia González
Publisher: John Wiley & Sons
ISBN: 1119417759
Category : Science
Languages : en
Pages : 52
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Book Description
An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Author: K. Birgitta Whaley
Publisher: John Wiley & Sons
ISBN: 1119375053
Category : Science
Languages : en
Pages : 371
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Book Description
The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. • This is the only series of volumes available that presents the cutting edge of research in chemical physics • Includes 10 contributions from leading experts in this field of research • Contains a representative cross-section of research in chemical reaction dynamics and state of the art quantum description of intramolecular and intermolecular dynamics • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry, chemical physics, or molecular physics
Author: Kaoru Yamanouchi
Publisher: Springer
ISBN: 303005974X
Category : Science
Languages : en
Pages : 521
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Book Description
This second volume of “Progress in Photon Science – Recent Advances” presents the latest achievements made by world-leading researchers in Russia and Japan. Thanks to recent advances in light source technologies; detection techniques for photons, electrons, and charged particles; and imaging technologies, the frontiers of photon science are now being expanding rapidly. Readers will be introduced to the latest research efforts in this rapidly growing research field through topics covering bioimaging and biological photochemistry, atomic and molecular phenomena in laser fields, laser–plasma interaction, advanced spectroscopy, electron scattering in laser fields, photochemistry on novel materials, solid-state spectroscopy, photoexcitation dynamics of nanostructures and clusters, and light propagation.
Author:
Publisher:
ISBN:
Category : Power resources
Languages : en
Pages : 548
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Book Description
Author: Marc J J Vrakking
Publisher: Royal Society of Chemistry
ISBN: 1788015134
Category : Science
Languages : en
Pages : 512
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Book Description
Attosecond science is a new and rapidly developing research area in which molecular dynamics are studied at the timescale of a few attoseconds. Within the past decade, attosecond pump–probe spectroscopy has emerged as a powerful experimental technique that permits electron dynamics to be followed on their natural timescales. With the development of this technology, physical chemists have been able to observe and control molecular dynamics on attosecond timescales. From these observations it has been suggested that attosecond to few-femtosecond timescale charge migration may induce what has been called “post-Born-Oppenheimer dynamics”, where the nuclei respond to rapidly time-dependent force fields resulting from transient localization of the electrons. These real-time observations have spurred exciting new advances in the theoretical work to both explain and predict these novel dynamics. This book presents an overview of current theoretical work relevant to attosecond science written by theoreticians who are presently at the forefront of its development. It is a valuable reference work for anyone working in the field of attosecond science as well as those studying the subject.
Author:
Publisher:
ISBN:
Category : Power resources
Languages : en
Pages : 848
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Book Description
Author: Trygve Helgaker
Publisher: John Wiley & Sons
ISBN: 1119019559
Category : Science
Languages : en
Pages : 949
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Book Description
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
Author: Mario Paz
Publisher: Springer
ISBN: 3319947435
Category : Science
Languages : en
Pages : 629
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Book Description
The sixth edition of Structural Dynamics: Theory and Computation is the complete and comprehensive text in the field. It presents modern methods of analysis and techniques adaptable to computer programming clearly and easily. The book is ideal as a text for advanced undergraduates or graduate students taking a first course in structural dynamics. It is arranged in such a way that it can be used for a one- or two-semester course, or span the undergraduate and graduate levels. In addition, this text will serve the practicing engineer as a primary reference. The text differs from the standard approach of other presentations in which topics are ordered by their mathematical complexity. This text is organized by the type of structural modeling. The author simplifies the subject by presenting a single degree-of-freedom system in the first chapters, then moves to systems with many degrees-of-freedom in the following chapters. Finally, the text moves to applications of the first chapters and special topics in structural dynamics. This revised textbook intends to provide enhanced learning materials for students to learn structural dynamics, ranging from basics to advanced topics, including their application. When a line-by-line programming language is included with solved problems, students can learn course materials easily and visualize the solved problems using a program. Among several programming languages, MATLAB® has been adopted by many academic institutions across several disciplines. Many educators and students in the U.S. and many international institutions can readily access MATLAB®, which has an appropriate programming language to solve and simulate problems in the textbook. It effectively allows matrix manipulations and plotting of data. Therefore, multi-degree-of freedom problems can be solved in conjunction with the finite element method using MATLAB®. The revised version will include: · solved 34 examples in Chapters 1 through 22 along with MALAB codes. · basics of earthquake design with current design codes (ASCE 7-16 and IBC 2018). · additional figures obtained from MATLAB codes to illustrate time-variant structural behavior and dynamic characteristics (e.g., time versus displacement and spectral chart). This text is essential for civil engineering students. Professional civil engineers will find it an ideal reference.
Author: Shulamith Schlick
Publisher: John Wiley & Sons
ISBN: 0470053496
Category : Science
Languages : en
Pages : 300
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Book Description
A definitive work on ESR and polymer science by today's leading authorities The past twenty years have seen extraordinary advances in electron spin resonance (ESR) techniques, particularly as they apply to polymeric materials. With contributions from over a dozen of the world's top polymer scientists, Advanced ESR Methods in Polymer Research is the first book to bring together all the current trends in this exciting field into one comprehensive reference. Part I establishes the fundamentals of ESR, from experimental techniques to data analysis, and serves as a valuable overview for the beginning ESR student. Part II introduces the broad range of ESR applications to polymeric systems, including living radical polymerization, block copoly-mers, polymer solutions, ion-containing polymers, polymer lattices, membranes in fuel cells, degradation, polymer coatings, dendrimers, and conductive polymers. By exposing readers to the great potential of ESR, the authors hope to encourage more extensive application of these methods.
